4-(5-chloro-1-methylbenzimidazol-2-yl)-1,3-thiazole

C11H8ClN3S — CID 155566045

IUPAC4-(5-chloro-1-methylbenzimidazol-2-yl)-1,3-thiazole
SMILESCn1c(-c2cscn2)nc2cc(Cl)ccc21
InChIInChI=1S/C11H8ClN3S/c1-15-10-3-2-7(12)4-8(10)14-11(15)9-5-16-6-13-9/h2-6H,1H3
InChIKeyACLAAWJKRDNGAN-UHFFFAOYSA-N
MW249.73 g/mol
LogP3.35
Rot. Bonds1

About 4-(5-chloro-1-methylbenzimidazol-2-yl)-1,3-thiazole

4-(5-chloro-1-methylbenzimidazol-2-yl)-1,3-thiazole (PubChem CID 155566045) has the molecular formula C11H8ClN3S and a molecular weight of 249.73 g/mol. Its IUPAC name is 4-(5-chloro-1-methylbenzimidazol-2-yl)-1,3-thiazole.

Molecular Properties

Compound Name4-(5-chloro-1-methylbenzimidazol-2-yl)-1,3-thiazole
PubChem CID155566045
Molecular FormulaC11H8ClN3S
Molecular Weight249.73 g/mol
Exact Mass249.01
IUPAC Name4-(5-chloro-1-methylbenzimidazol-2-yl)-1,3-thiazole
SMILESCn1c(-c2cscn2)nc2cc(Cl)ccc21
InChIInChI=1S/C11H8ClN3S/c1-15-10-3-2-7(12)4-8(10)14-11(15)9-5-16-6-13-9/h2-6H,1H3
InChIKeyACLAAWJKRDNGAN-UHFFFAOYSA-N
XLogP3.35
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.73
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-1-methylbenzimidazol-2-yl)-1,3-thiazole?
The IUPAC name of 4-(5-chloro-1-methylbenzimidazol-2-yl)-1,3-thiazole (CID 155566045) is 4-(5-chloro-1-methylbenzimidazol-2-yl)-1,3-thiazole.
What is the SMILES notation for 4-(5-chloro-1-methylbenzimidazol-2-yl)-1,3-thiazole?
The canonical SMILES for 4-(5-chloro-1-methylbenzimidazol-2-yl)-1,3-thiazole is Cn1c(-c2cscn2)nc2cc(Cl)ccc21.
What is the InChIKey of 4-(5-chloro-1-methylbenzimidazol-2-yl)-1,3-thiazole?
The InChIKey is ACLAAWJKRDNGAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClN3S/c1-15-10-3-2-7(12)4-8(10)14-11(15)9-5-16-6-13-9/h2-6H,1H3.
What are the key properties of 4-(5-chloro-1-methylbenzimidazol-2-yl)-1,3-thiazole?
4-(5-chloro-1-methylbenzimidazol-2-yl)-1,3-thiazole has a molecular weight of 249.73 g/mol, XLogP of 3.35, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-1-methylbenzimidazol-2-yl)-1,3-thiazole is sourced from PubChem (CID 155566045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).